SCHEMBL8201498

SCHEMBL8201498

Cc1ccccc1C=CC(=O)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CHRNA7 P36544 3/20 0.44
GSPT1 P15170 1/20 0.42
CRBN Q96SW2 1/20 0.42
IMPDH2 P12268 1/20 0.41
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8221068 0.99 MAPT (0.47) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL8221080 0.89 MAPT (0.54) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL8218244 0.89 MAPT (0.45) MAPTTP53SMN1; SMN2THRBLMNA
Hydrochloric Acid SCHEMBL8218987 0.89 MAPT (0.53) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL8221093 0.88 MAPT (0.44) MAPTTP53SMN1; SMN2THRBLMNA
Hydrochloric Acid SCHEMBL8222018 0.88 MAPT (0.44) MAPTTP53SMN1; SMN2THRBLMNA
SCHEMBL8201867 0.88 MAPT (0.63) MAPTSMN1; SMN2LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL8220303 0.87 MAPT (0.43) MAPTTP53SMN1; SMN2THRBLMNA
Hydrochloric Acid SCHEMBL8215501 0.87 MAPT (0.62) MAPTSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL8209221 0.86 MAOB (0.52) MAPTTP53SMN1; SMN2THRBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO claimed
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed